data_6ctb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6ctb _Structure_validation_residue.Date_analyzed 2019-09-20 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' GLU . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 143' ' ' VAL . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.402 HH11 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.558 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.477 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 125' ' ' MET . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.515 ' O ' HG21 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 118' ' ' THR . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.431 ' SD ' ' HE1' ' A' ' 110' ' ' MET . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.472 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.477 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.424 HG12 HD11 ' A' ' 86' ' ' ILE . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.431 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1647 ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1648 ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1654 ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1657 ' ' TYR . . . . . 0.434 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.674 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 124' ' ' GLU . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.438 ' CD ' ' HG1' ' B' 1644 ' ' THR . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.535 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.409 ' HE1' ' OG1' ' B' 1651 ' ' THR . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.6 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1644 ' ' THR . . . . . 0.438 ' HG1' ' CD ' ' A' ' 128' ' ' GLU . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1648 ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1649 ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1651 ' ' THR . . . . . 0.409 ' OG1' ' HE1' ' A' ' 145' ' ' MET . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1653 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1654 ' ' ILE . . . . . 0.43 HG21 HD12 ' B' 1654 ' ' ILE . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1657 ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1660 ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1661 ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1664 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 93' ' ' PHE . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 91' ' ' ARG . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.662 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.465 ' O ' HG21 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.58 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.58 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.662 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1653 ' ' LEU . . . . . 0.405 HD21 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1654 ' ' ILE . . . . . 0.482 HG21 HD13 ' B' 1654 ' ' ILE . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1656 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1660 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' 1663 ' ' LYS . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.511 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.621 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 122' ' ' VAL . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 118' ' ' THR . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.558 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.621 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1651 ' ' THR . . . . . 0.466 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1655 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1656 ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1658 ' ' PHE . . . . . 0.478 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1659 ' ' ARG . . . . . 0.481 HH22 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1660 ' ' LYS . . . . . 0.727 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1663 ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1664 ' ' ARG . . . . . 0.727 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' GLU . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 143' ' ' VAL . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.402 HH11 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.558 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.477 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 125' ' ' MET . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.515 ' O ' HG21 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 118' ' ' THR . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.431 ' SD ' ' HE1' ' A' ' 110' ' ' MET . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.472 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.477 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.424 HG12 HD11 ' A' ' 86' ' ' ILE . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.431 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.551 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1647 ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1648 ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1657 ' ' TYR . . . . . 0.434 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.674 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.674 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 124' ' ' GLU . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.438 ' CD ' ' HG1' ' B' 1644 ' ' THR . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.535 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.409 ' HE1' ' OG1' ' B' 1651 ' ' THR . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.6 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1644 ' ' THR . . . . . 0.438 ' HG1' ' CD ' ' A' ' 128' ' ' GLU . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1648 ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1649 ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1651 ' ' THR . . . . . 0.409 ' OG1' ' HE1' ' A' ' 145' ' ' MET . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1653 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.43 HG21 HD12 ' B' 1654 ' ' ILE . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1657 ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1660 ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1661 ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1664 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 93' ' ' PHE . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 91' ' ' ARG . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.662 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.465 ' O ' HG21 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.58 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.58 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.662 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1653 ' ' LEU . . . . . 0.405 HD21 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.482 HG21 HD13 ' B' 1654 ' ' ILE . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1656 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1660 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' 1663 ' ' LYS . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.511 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.621 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 122' ' ' VAL . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 118' ' ' THR . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.558 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.621 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1651 ' ' THR . . . . . 0.466 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1655 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1656 ' ' GLU . . . . . 0.481 ' CD ' HH22 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1658 ' ' PHE . . . . . 0.478 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1659 ' ' ARG . . . . . 0.481 HH22 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1660 ' ' LYS . . . . . 0.727 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1663 ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1664 ' ' ARG . . . . . 0.727 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 87' ' ' ARG . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' OE2' ' HD3' ' B' 1659 ' ' ARG . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 92' ' ' VAL . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG3' HG11 ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 107' ' ' ARG . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.502 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.572 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1647 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1648 ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1649 ' ' TYR . . . . . 0.607 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1653 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1654 ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1657 ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1659 ' ' ARG . . . . . 0.414 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 110' ' ' MET . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 106' ' ' LEU . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.692 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.421 ' OE2' ' HD3' ' A' ' 127' ' ' ARG . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 138' ' ' ASN . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 139' ' ' TYR . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1648 ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1657 ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1660 ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1661 ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1664 ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 92' ' ' VAL . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.67 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HB3' ' H ' ' A' ' 118' ' ' THR . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 117' ' ' LEU . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.589 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.589 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.67 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1653 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1656 ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1660 ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' B' 1655 ' ' GLN . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.63 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.461 ' H ' ' HB2' ' A' ' 121' ' ' GLU . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.461 ' HB2' ' H ' ' A' ' 118' ' ' THR . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 107' ' ' ARG . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.572 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.601 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.403 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1647 ' ' LYS . . . . . 0.403 ' HD2' ' SD ' ' A' ' 145' ' ' MET . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1649 ' ' TYR . . . . . 0.47 ' CE1' HD11 ' B' 1653 ' ' LEU . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1651 ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1653 ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' 1649 ' ' TYR . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1655 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1656 ' ' GLU . . . . . 0.486 ' CD ' HH21 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1658 ' ' PHE . . . . . 0.482 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1659 ' ' ARG . . . . . 0.486 HH21 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1660 ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1663 ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1664 ' ' ARG . . . . . 0.731 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 87' ' ' ARG . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' OE2' ' HD3' ' B' 1659 ' ' ARG . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 92' ' ' VAL . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG3' HG11 ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 107' ' ' ARG . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.502 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.572 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1647 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1648 ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1649 ' ' TYR . . . . . 0.607 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1654 ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1657 ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1659 ' ' ARG . . . . . 0.414 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 110' ' ' MET . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 106' ' ' LEU . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.692 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.421 ' OE2' ' HD3' ' A' ' 127' ' ' ARG . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 138' ' ' ASN . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 139' ' ' TYR . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1648 ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1657 ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1660 ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1661 ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1664 ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 92' ' ' VAL . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.67 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HB3' ' H ' ' A' ' 118' ' ' THR . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 117' ' ' LEU . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.589 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.589 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.67 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1656 ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1660 ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' B' 1655 ' ' GLN . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.63 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.461 ' H ' ' HB2' ' A' ' 121' ' ' GLU . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.461 ' HB2' ' H ' ' A' ' 118' ' ' THR . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 107' ' ' ARG . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.572 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.601 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.403 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1647 ' ' LYS . . . . . 0.403 ' HD2' ' SD ' ' A' ' 145' ' ' MET . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1649 ' ' TYR . . . . . 0.47 ' CE1' HD11 ' B' 1653 ' ' LEU . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1651 ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' 1649 ' ' TYR . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1655 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1656 ' ' GLU . . . . . 0.486 ' CD ' HH21 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1658 ' ' PHE . . . . . 0.482 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1659 ' ' ARG . . . . . 0.486 HH21 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1660 ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1663 ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1664 ' ' ARG . . . . . 0.731 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 87' ' ' ARG . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' OE2' ' HD3' ' B' 1659 ' ' ARG . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 92' ' ' VAL . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG3' HG11 ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 107' ' ' ARG . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.502 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.572 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1647 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1648 ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1649 ' ' TYR . . . . . 0.607 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . 0.414 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 110' ' ' MET . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 106' ' ' LEU . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.692 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.421 ' OE2' ' HD3' ' A' ' 127' ' ' ARG . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 138' ' ' ASN . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 139' ' ' TYR . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1648 ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 92' ' ' VAL . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.67 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HB3' ' H ' ' A' ' 118' ' ' THR . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 117' ' ' LEU . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.589 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.589 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.67 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' B' 1655 ' ' GLN . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.63 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.461 ' H ' ' HB2' ' A' ' 121' ' ' GLU . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.461 ' HB2' ' H ' ' A' ' 118' ' ' THR . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 107' ' ' ARG . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.572 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.601 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.403 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1647 ' ' LYS . . . . . 0.403 ' HD2' ' SD ' ' A' ' 145' ' ' MET . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1649 ' ' TYR . . . . . 0.47 ' CE1' HD11 ' B' 1653 ' ' LEU . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1651 ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' 1649 ' ' TYR . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . 0.486 ' CD ' HH21 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . 0.482 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . 0.486 HH21 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . 0.731 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 87' ' ' ARG . 0.0 OUTLIER -109.49 -7.47 15.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.67 0.748 . . . . 10.0 109.094 178.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 88' ' ' GLU . 26.6 mm-40 -77.07 7.2 5.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.001 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' OE2' ' HD3' ' B' 1659 ' ' ARG . 3.6 mm-40 -67.46 -24.04 65.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.732 -1.122 . . . . 10.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.96 -52.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.317 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 83' ' ' GLU . 31.8 ttm180 -54.04 -53.03 58.66 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.976 0.732 . . . . 10.0 112.976 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 9.0 tt0 -62.18 -16.19 51.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.783 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.02 -13.82 26.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.021 0.439 . . . . 10.0 110.593 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.37 -32.47 19.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.758 -0.655 . . . . 10.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 93' ' ' PHE . 17.4 ttm180 -58.59 -45.44 89.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.187 0.517 . . . . 10.0 109.66 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 92' ' ' VAL . 1.8 t -44.95 -0.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 CA-C-N 114.049 -1.432 . . . . 10.0 114.15 176.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 91' ' ' ARG . 47.8 m-85 -120.94 -30.85 4.31 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 121.663 -0.648 . . . . 10.0 110.298 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.8 114.19 4.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.497 -0.774 . . . . 10.0 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -104.16 -0.51 28.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.651 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -34.4 8.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.208 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.31 24.08 71.99 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.641 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.267 -0.466 . . . . 10.0 110.95 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 123.07 -8.77 9.07 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' HG3' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -135.63 127.05 28.58 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.82 153.79 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.02 100.97 7.56 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.104 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -13.07 -50.77 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.998 1.851 . . . . 10.0 115.998 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.66 -51.21 29.52 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.227 0.455 . . . . 10.0 112.227 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -64.83 -44.7 88.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 10.0 110.791 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.47 -40.68 83.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.958 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG3' HG11 ' A' ' 122' ' ' VAL . 18.2 ttt180 -64.9 -41.19 95.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.734 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 75.6 t60 -67.5 -34.16 76.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.546 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.1 t -82.83 -34.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.987 0.422 . . . . 10.0 111.924 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.58 -46.37 89.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.317 -0.402 . . . . 10.0 111.526 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.37 39.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.006 0.432 . . . . 10.0 110.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 1.4 t-20 -141.86 -56.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.367 0.603 . . . . 10.0 110.712 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.26 148.18 23.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.65 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.8 -113.01 3.6 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -172.28 2.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -118.06 110.98 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.963 0.411 . . . . 10.0 110.954 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -96.13 -152.86 0.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 122' ' ' VAL . 72.5 p -126.02 156.82 39.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.487 -0.931 . . . . 10.0 108.487 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -56.49 -30.85 63.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.16 -51.55 60.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.638 -1.164 . . . . 10.0 109.886 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -68.62 -3.41 11.77 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 107' ' ' ARG . 59.5 t -102.27 -67.66 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -43.46 -48.55 7.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.74 -0.663 . . . . 10.0 112.456 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.24 -30.59 71.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.025 0.441 . . . . 10.0 111.981 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 57.0 ttm -71.54 -41.24 69.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.396 0.617 . . . . 10.0 109.937 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 122' ' ' VAL . 15.8 mt -78.54 -16.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.184 -0.917 . . . . 10.0 110.24 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -80.58 -47.51 14.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.611 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' B' 1647 ' ' LYS . 25.5 mt-10 -63.99 -20.34 65.82 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.607 0.225 . . . . 10.0 111.607 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.58 -60.01 1.99 Allowed 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 123.104 0.253 . . . . 10.0 111.346 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.25 104.43 7.76 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 110.275 -0.268 . . . . 10.0 110.275 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.09 -23.11 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.38 -56.29 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.327 -0.851 . . . . 10.0 110.705 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.96 7.47 50.23 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.231 -0.985 . . . . 10.0 111.521 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -68.04 -49.04 63.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 10.0 110.404 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.2 -31.49 3.45 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.678 -0.969 . . . . 10.0 110.678 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.502 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 1.1 tp60 -89.12 90.36 8.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.014 -0.365 . . . . 10.0 110.014 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.21 135.85 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.96 0.409 . . . . 10.0 110.95 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -80.86 126.33 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.473 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.432 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.8 p90 -77.49 -40.44 42.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 120.091 -0.644 . . . . 10.0 112.276 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.75 -23.31 66.71 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.081 0.855 . . . . 10.0 110.962 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.43 -21.35 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -36.49 15.02 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.033 -0.985 . . . . 10.0 108.932 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.49 -48.04 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.345 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -83.35 10.4 8.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.906 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 4.5 ttp -67.53 -58.44 4.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.783 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.572 ' HA ' ' CE1' ' B' 1648 ' ' PHE . 18.9 ttp -53.58 -31.71 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.49 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -16.97 60.11 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.627 0.727 . . . . 10.0 110.733 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 114.769 -1.105 . . . . 10.0 111.146 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.027 0.441 . . . . 10.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 3.5 p -122.92 -38.11 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.502 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -165.06 61.32 0.24 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.09 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' ' 128' ' ' GLU . 28.3 mtmt -60.35 -37.59 81.14 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 122.129 0.171 . . . . 10.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 146' ' ' MET . 55.5 m-85 -64.87 -35.86 82.5 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.392 0.433 . . . . 10.0 110.232 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . 0.607 ' O ' ' HG ' ' B' 1653 ' ' LEU . 74.6 t80 -65.91 -42.63 89.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.47 95.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.721 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 80.5 m -59.63 -43.67 93.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.332 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 46.7 t80 -63.15 -38.04 89.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.718 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' 1649 ' ' TYR . 85.7 mt -54.37 -52.96 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.663 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' 1657 ' ' TYR . 0.8 OUTLIER -70.29 -31.13 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.823 -0.351 . . . . 10.0 111.094 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -54.58 -60.45 3.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.764 0.316 . . . . 10.0 111.182 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.47 -25.65 61.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.913 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' B' 1654 ' ' ILE . 22.9 t80 -61.74 -53.47 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.191 0.307 . . . . 10.0 110.265 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . 0.414 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 15.1 ttp180 -60.53 -54.3 47.17 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.971 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -63.63 -37.85 88.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.354 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.12 -44.49 76.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.356 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 47.7 tttt -56.23 -43.39 78.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 111.016 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.3 -17.42 34.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.352 0.501 . . . . 10.0 112.352 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -78.99 -32.62 45.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.125 0.488 . . . . 10.0 109.909 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -63.25 -24.35 67.83 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.289 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.72 9.08 41.26 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.663 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 -45.52 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.498 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 10.0 112.434 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.798 0.332 . . . . 10.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -122.51 -30.46 3.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.383 0.611 . . . . 10.0 109.578 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 61.8 mm-40 -65.01 -22.28 66.97 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -30.39 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.653 -1.158 . . . . 10.0 110.285 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.18 -41.83 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.463 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . 30.3 ttm180 -62.01 -45.58 92.98 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.77 -29.75 70.34 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.267 0.556 . . . . 10.0 111.164 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.16 -13.54 61.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.161 -0.927 . . . . 10.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -28.4 17.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 111.844 0.313 . . . . 10.0 111.844 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' PHE . 8.5 mtm180 -63.86 -39.66 94.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.315 0.579 . . . . 10.0 109.818 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -8.63 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 114.977 -1.011 . . . . 10.0 111.738 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' ARG . 60.4 m-85 -114.12 -46.48 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.685 -0.858 . . . . 10.0 108.685 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.55 100.53 0.08 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.206 0.941 . . . . 10.0 109.801 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -5.7 59.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.213 0.53 . . . . 10.0 111.559 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.34 -32.18 12.01 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.753 -0.832 . . . . 10.0 108.753 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.55 76.07 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.437 -0.801 . . . . 10.0 113.616 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -98.64 -34.39 10.58 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.908 -0.317 . . . . 10.0 111.367 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 138' ' ' ASN . . . 124.56 -14.45 7.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.491 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.04 121.03 37.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.1 mt -103.5 148.29 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 119.115 0.871 . . . . 10.0 109.368 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 79.23 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.774 1.028 . . . . 10.0 113.774 -177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 21.56 -78.01 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.552 2.056 . . . . 10.0 116.552 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.53 -35.14 3.7 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -61.49 -45.09 95.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 10.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 110' ' ' MET . 19.3 tp -75.4 -30.19 60.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.24 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -61.51 -54.44 43.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.032 0.444 . . . . 10.0 110.548 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 77.9 t60 -58.22 -36.34 73.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.845 . . . . 10.0 112.4 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.3 t -82.13 -41.19 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 106' ' ' LEU . 4.5 tpt -56.75 -44.45 81.75 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.57 0.224 . . . . 10.0 111.434 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.39 36.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.864 0.364 . . . . 10.0 110.769 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.692 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 6.6 t-20 -137.54 -55.86 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.194 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.53 159.8 17.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.87 0.367 . . . . 10.0 111.102 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 66.93 -119.53 12.19 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.424 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.74 175.09 6.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -115.46 117.72 31.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.904 0.383 . . . . 10.0 111.57 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.04 -160.01 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.967 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 122' ' ' VAL . 45.3 p -122.45 151.37 41.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.59 -28.92 64.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.435 0.46 . . . . 10.0 111.012 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.7 -44.86 73.06 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.587 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.27 -61.88 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 118' ' ' THR . 19.3 t -43.75 -67.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 124.603 1.19 . . . . 10.0 111.435 178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -42.45 -44.18 3.93 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.133 0.79 . . . . 10.0 113.133 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.421 ' OE2' ' HD3' ' A' ' 127' ' ' ARG . 2.5 tp10 -70.85 -24.23 62.48 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.321 0.582 . . . . 10.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.0 ttm -78.87 -36.55 42.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.566 -0.743 . . . . 10.0 109.973 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.7 mt -83.4 -30.17 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.651 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 124' ' ' GLU . 11.1 ttt180 -70.93 -43.32 68.45 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.277 0.56 . . . . 10.0 109.895 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -74.14 -10.84 60.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.393 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.93 -54.82 3.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.857 0.361 . . . . 10.0 110.704 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -85.18 95.3 9.11 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.201 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 11.1 mt -88.06 -21.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.39 -50.84 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.226 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.69 78.84 1.42 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.416 -0.811 . . . . 10.0 112.126 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.34 -33.35 0.1 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.443 . . . . 10.0 110.335 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 114.28 -36.9 3.76 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.718 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -83.91 87.43 7.1 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.946 0.403 . . . . 10.0 110.305 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.22 135.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.372 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 37.7 t-20 -66.63 127.06 30.94 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 1.9 p90 -66.21 -38.28 87.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.338 -0.545 . . . . 10.0 111.401 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.33 -25.62 68.39 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.364 -0.21 . . . . 10.0 111.02 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 138' ' ' ASN . 2.9 mt-10 -59.45 -36.36 75.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 10.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.28 -32.27 24.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.218 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 139' ' ' TYR . 40.3 t -71.2 -45.35 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.658 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.89 1.4 30.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.812 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.81 -63.13 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' B' 1648 ' ' PHE . 36.9 ttp -51.51 -43.25 62.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -20.63 64.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.662 . . . . 10.0 111.387 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.24 179.632 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.746 0.308 . . . . 10.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 6.5 p -172.11 -39.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.544 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -122.11 53.26 0.73 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -72.32 -55.02 7.81 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.648 0.261 . . . . 10.0 111.386 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 146' ' ' MET . 3.9 m-30 -63.43 -34.81 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.561 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . 0.594 ' O ' ' HG ' ' B' 1653 ' ' LEU . 56.2 t80 -62.33 -43.96 97.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.515 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.71 85.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 31.6 m -61.63 -45.73 92.81 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.971 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 76.5 t80 -63.57 -32.84 74.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' 1649 ' ' TYR . 68.3 mt -61.3 -47.15 87.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.94 -41.3 87.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 121.052 -0.259 . . . . 10.0 110.64 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.78 -47.01 87.42 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.583 0.23 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -66.64 -47.14 73.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.028 0.442 . . . . 10.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' B' 1661 ' ' PHE . 14.3 t80 -58.09 -53.4 58.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.383 -0.826 . . . . 10.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -65.11 -35.71 81.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.714 0.293 . . . . 10.0 111.224 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -64.43 -52.96 55.45 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.732 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' 1664 ' ' ARG . 23.8 pttt -70.87 -31.38 68.04 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.801 -0.36 . . . . 10.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' B' 1657 ' ' TYR . 18.9 t80 -57.47 -42.64 82.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.15 0.5 . . . . 10.0 110.017 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -68.99 -36.02 77.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.062 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.52 -28.89 41.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' 1660 ' ' LYS . 21.8 mtm180 -76.13 -17.06 59.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.661 0.267 . . . . 10.0 110.731 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 3.7 tptp -65.05 -28.62 69.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.261 0.553 . . . . 10.0 109.95 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -82.03 -15.49 53.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.364 -0.834 . . . . 10.0 110.303 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -90.42 -52.71 4.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.286 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.459 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.825 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -113.23 -19.18 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 59.0 mm-40 -65.84 -15.36 62.83 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.548 0.689 . . . . 10.0 110.242 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.92 -17.17 62.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.889 -1.05 . . . . 10.0 110.343 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 62.3 mt -126.79 -41.67 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.317 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 44.2 ttm180 -64.89 -49.25 71.2 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 78.3 tt0 -59.66 -16.86 29.49 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.219 0.533 . . . . 10.0 111.93 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.18 -19.27 28.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.813 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -81.13 -36.02 30.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.419 0.152 . . . . 10.0 111.201 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -55.53 -45.22 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.38 0.61 . . . . 10.0 109.588 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.402 HG23 ' H ' ' A' ' 92' ' ' VAL . 5.8 t -48.15 -10.67 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 114.341 -1.3 . . . . 10.0 112.89 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -120.95 -43.73 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.382 0.273 . . . . 10.0 110.325 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -63.27 104.18 0.57 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.471 0.653 . . . . 10.0 110.825 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -94.74 -0.06 54.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.942 . . . . 10.0 111.424 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.76 -31.91 12.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.097 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.4 41.88 66.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.084 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.06 -36.54 3.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.591 0.234 . . . . 10.0 110.76 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.67 ' HA2' ' CZ ' ' A' ' 139' ' ' TYR . . . 120.9 -9.75 10.39 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.1 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -123.31 121.62 36.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 15.3 mt -97.87 153.55 3.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.282 0.946 . . . . 10.0 109.029 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.8 81.49 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 24.01 -81.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.923 1.823 . . . . 10.0 115.923 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.95 -40.2 6.16 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.0 tp10 -60.76 -27.97 68.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.818 0.342 . . . . 10.0 111.313 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 tp -96.59 -33.06 11.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.89 -35.23 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.353 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 2.0 t-160 -75.27 -34.02 61.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.417 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 105' ' ' GLU . 56.2 t -78.58 -39.59 23.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.851 -0.34 . . . . 10.0 111.649 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -48.76 70.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.527 0.565 . . . . 10.0 112.527 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 32.65 1.48 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.975 0.417 . . . . 10.0 111.308 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 21.9 t-20 -133.51 -64.29 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.596 -0.274 . . . . 10.0 111.58 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.01 145.73 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.895 0.378 . . . . 10.0 111.752 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 68.65 -121.82 13.19 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.582 -0.735 . . . . 10.0 112.573 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.74 165.09 21.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.949 0.404 . . . . 10.0 110.667 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -118.77 117.42 28.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.255 0.55 . . . . 10.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' HB3' ' H ' ' A' ' 118' ' ' THR . 88.6 mt -95.83 -156.87 0.54 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.43 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 117' ' ' LEU . 33.2 p -126.22 164.76 20.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.151 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.67 -31.79 69.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.75 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.97 -52.71 11.94 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -67.67 -4.37 11.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 10.0 112.061 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 125' ' ' MET . 50.2 t -108.25 -64.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -39.99 -52.43 2.47 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.589 ' OE1' ' HD3' ' A' ' 127' ' ' ARG . 16.8 tp10 -69.21 -23.66 63.93 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.861 0.363 . . . . 10.0 111.529 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 122' ' ' VAL . 11.5 ttm -69.11 -34.35 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 8.7 mt -92.8 -16.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.605 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.589 ' HD3' ' OE1' ' A' ' 124' ' ' GLU . 10.8 ttt180 -78.26 -43.02 29.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.075 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -74.17 -13.93 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.354 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.21 -58.43 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.975 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -84.08 108.29 16.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.946 0.403 . . . . 10.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.5 mt -99.7 -15.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.346 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.44 -52.31 11.02 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.074 0.464 . . . . 10.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.43 35.75 5.36 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.502 -0.772 . . . . 10.0 112.183 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -100.66 -36.19 9.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.112 0.482 . . . . 10.0 110.809 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 119.26 -15.6 10.82 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.308 -0.717 . . . . 10.0 111.308 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 100' ' ' TYR . 2.1 tp60 -107.55 110.59 22.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.58 129.39 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 10.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 99' ' ' GLY . 38.3 t-20 -67.71 129.12 38.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.565 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.67 ' CZ ' ' HA2' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -66.76 -42.33 86.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.57 -0.452 . . . . 10.0 111.97 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.1 -28.91 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.141 -0.349 . . . . 10.0 111.626 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -62.14 -26.19 68.17 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.964 0.411 . . . . 10.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -91.16 -37.77 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 139' ' ' TYR . 28.7 t -64.77 -45.54 94.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.371 0.605 . . . . 10.0 110.359 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.9 20.99 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.76 -0.655 . . . . 10.0 112.139 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 30.4 ttp -64.5 -64.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 10.0 110.269 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.46 66.15 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.175 -0.466 . . . . 10.0 112.213 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -31.02 62.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 10.0 110.421 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.436 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.925 179.51 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.904 0.383 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 13.4 p -176.99 -18.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.314 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -114.74 27.13 8.95 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.545 -0.836 . . . . 10.0 113.095 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -61.42 -45.65 93.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.926 0.393 . . . . 10.0 110.549 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -64.56 -29.57 70.59 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.239 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.78 -44.75 55.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.666 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.31 94.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.704 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 5.2 p -61.93 -49.93 74.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.744 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.72 -33.56 71.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.616 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1653 ' ' LEU . 6.2 mt -58.06 -56.94 15.54 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.37 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.52 -39.48 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.078 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -51.07 -56.09 14.33 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.412 0.445 . . . . 10.0 112.199 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' 1660 ' ' LYS . 8.9 tp10 -77.95 -35.9 49.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.345 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -56.25 -50.04 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 10.0 111.01 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -70.8 -41.79 71.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.638 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -61.61 -57.1 13.37 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.34 0.496 . . . . 10.0 112.34 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' 1656 ' ' GLU . 16.2 ptpt -62.43 -36.33 82.05 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.36 -34.91 70.88 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.798 -0.361 . . . . 10.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 81.7 tttt -58.85 -41.68 87.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.228 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -29.0 32.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.91 -0.587 . . . . 10.0 111.018 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.1 0.476 . . . . 10.0 110.042 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -63.55 -27.23 69.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.422 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.72 -34.0 52.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -81.11 -34.37 32.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.128 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.025 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.239 0.542 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -116.91 -18.88 10.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.768 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' ' HD2' ' A' ' 87' ' ' ARG . 14.3 mm-40 -70.15 -9.59 56.11 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.309 -0.86 . . . . 10.0 109.244 178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.89 -25.18 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.114 -1.403 . . . . 10.0 109.707 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' B' 1655 ' ' GLN . 65.6 mt -127.13 -38.22 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 37.8 ttm105 -64.75 -55.16 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 tt0 -56.71 -28.93 61.85 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.275 0.56 . . . . 10.0 110.445 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.34 78.03 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' HE2' ' B' 1658 ' ' PHE . 0.3 OUTLIER -74.51 -29.22 61.32 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.389 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 93' ' ' PHE . 19.1 ttm180 -61.31 -45.36 94.76 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 88' ' ' GLU . 13.6 t -50.6 -4.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 CA-C-N 114.418 -1.265 . . . . 10.0 112.42 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 91' ' ' ARG . 93.6 m-85 -123.25 -43.52 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.05 -0.406 . . . . 10.0 110.152 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.24 116.09 4.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.154 0.502 . . . . 10.0 110.325 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -107.04 3.65 26.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.41 -0.814 . . . . 10.0 111.306 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -36.02 10.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.58 32.63 50.19 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.979 -1.009 . . . . 10.0 111.839 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.69 -35.14 6.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.492 -0.354 . . . . 10.0 110.937 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.63 ' HA2' ' CE1' ' A' ' 139' ' ' TYR . . . 116.9 -11.92 15.03 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.68 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 138' ' ' ASN . 0.2 OUTLIER -125.67 121.63 34.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 22.2 mt -109.96 153.63 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.987 0.812 . . . . 10.0 109.421 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 100.28 7.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 111.782 0.289 . . . . 10.0 111.782 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -24.11 -41.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.764 1.764 . . . . 10.0 115.764 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.52 -42.04 31.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.012 0.434 . . . . 10.0 111.61 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.5 tp10 -81.21 -42.47 20.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.496 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.68 -42.66 89.04 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.353 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 19.5 ttt180 -55.01 -36.99 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.703 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.59 -49.13 17.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.294 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 105' ' ' GLU . 4.5 t -64.21 -35.52 74.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.738 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.7 tpt -61.61 -34.56 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.335 0.588 . . . . 10.0 110.729 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 39.45 1.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.343 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.11 -58.99 0.43 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.341 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.3 mt -97.15 146.7 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 -79.7 1.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.707 -0.679 . . . . 10.0 112.996 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -129.09 -175.59 3.61 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -135.31 109.07 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.813 0.816 . . . . 10.0 110.278 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.6 mt -91.9 -161.09 0.79 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.624 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.461 ' H ' ' HB2' ' A' ' 121' ' ' GLU . 18.2 p -129.73 169.19 15.43 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -54.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.536 0.523 . . . . 10.0 111.692 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.47 -48.21 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 10.0 112.121 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.461 ' HB2' ' H ' ' A' ' 118' ' ' THR . 39.3 mt-10 -56.65 -20.0 19.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.375 0.509 . . . . 10.0 112.375 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 107' ' ' ARG . 53.2 t -101.76 -61.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.244 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.0 -49.89 4.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.572 ' OE2' ' HD2' ' A' ' 127' ' ' ARG . 2.4 tp10 -69.27 -27.67 65.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 10.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 49.1 ttm -70.43 -32.88 70.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.8 mt -94.57 -19.54 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.108 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HD2' ' OE2' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -76.24 -46.55 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.89 -16.62 61.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.362 -0.836 . . . . 10.0 111.325 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.86 -49.89 6.19 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 112.451 0.537 . . . . 10.0 112.451 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -76.82 110.62 11.57 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.8 mt -90.69 -32.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 112.077 0.399 . . . . 10.0 112.077 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.02 -34.74 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.466 0.65 . . . . 10.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.36 41.83 7.24 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.336 -1.106 . . . . 10.0 110.336 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.17 -36.19 12.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.039 0.447 . . . . 10.0 111.108 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.49 -42.1 1.96 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.567 -1.013 . . . . 10.0 110.567 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -85.29 109.16 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 100' ' ' TYR . 6.8 p -115.4 136.94 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.123 0.487 . . . . 10.0 111.999 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.601 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 31.1 t30 -77.99 129.86 35.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CE1' ' HA2' ' A' ' 99' ' ' GLY . 9.5 p90 -66.96 -43.52 82.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.69 -31.45 71.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.583 0.629 . . . . 10.0 111.446 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.22 -28.42 69.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.416 -0.357 . . . . 10.0 110.734 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -90.73 -34.5 15.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 10.0 110.952 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.15 -27.88 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.212 0.53 . . . . 10.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.47 19.21 13.72 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.638 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.403 ' SD ' ' HD2' ' B' 1647 ' ' LYS . 5.4 ttp -70.22 -63.46 1.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -22.94 62.17 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -25.79 55.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.281 0.563 . . . . 10.0 109.996 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.531 179.724 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1644 ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.803 0.335 . . . . 10.0 111.303 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1645 ' ' VAL . . . . . . . . . . . . . 7.5 p -155.77 -34.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.921 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . -142.37 50.85 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.927 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . 0.403 ' HD2' ' SD ' ' A' ' 145' ' ' MET . 36.4 mtmt -65.04 -21.04 66.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.461 0.172 . . . . 10.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -73.92 -33.32 63.92 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.265 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . 0.47 ' CE1' HD11 ' B' 1653 ' ' LEU . 48.7 t80 -72.49 -41.04 66.43 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.15 95.28 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' 1655 ' ' GLN . 0.6 OUTLIER -66.75 -49.87 64.56 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.199 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.62 -32.56 67.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.505 -0.77 . . . . 10.0 111.398 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.47 HD11 ' CE1' ' B' 1649 ' ' TYR . 15.7 mt -64.47 -51.82 61.09 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.563 0.22 . . . . 10.0 110.521 178.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 11.0 mt -65.67 -42.25 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 110.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' B' 1651 ' ' THR . 48.9 mt-30 -56.02 -61.83 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.694 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . 0.486 ' CD ' HH21 ' B' 1659 ' ' ARG . 2.5 tp10 -59.33 -40.17 85.48 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.334 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 3.1 t80 -58.07 -50.07 74.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . 0.482 ' HE2' ' CD1' ' A' ' 90' ' ' PHE . 2.1 m-85 -69.04 -37.9 78.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.27 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . 0.486 HH21 ' CD ' ' B' 1656 ' ' GLU . 11.4 ttp180 -58.04 -58.25 9.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.674 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' B' 1664 ' ' ARG . 16.6 ptpt -67.92 -30.49 69.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -74.63 -46.34 38.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.75 0.31 . . . . 10.0 111.271 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 39.2 tttm -59.71 -40.74 88.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.009 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' B' 1659 ' ' ARG . 15.4 mttp -83.29 -18.29 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.727 -0.215 . . . . 10.0 111.424 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . 0.731 ' HB2' ' O ' ' B' 1660 ' ' LYS . 0.4 OUTLIER -80.48 -29.64 37.42 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.9 tptp -58.87 -27.19 64.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.138 -0.937 . . . . 10.0 111.162 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.86 -29.7 65.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.657 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -83.17 -56.97 3.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.713 -179.768 . . . . . . . . 0 0 . 1 stop_ save_